LOCAL INTERPRETATION OF CHAOTIC DYNAMICS IN A MANY-BODY CLASSICAL HAMILTONIAN SYSTEM

The Kolmogorov entropy of a model Ar3 cluster converges smoothly to its limiting value when averages are taken over increasingly long segments of a molecular dynamics trajectory. We exploit this convergence and the analytical relation between the local Kolmogorov function and the potential energy surface to obtain a detailed understanding of the classical dynamics of Ar3. In particular, we are able to explain why the Kolmogorov entropy increases steadily with the total energy and then reaches a plateau. Several generalizations regarding more complex molecular systems are inferred.